Scientific Program

Monday, October 18 (DySoN-related sessions)

10:00 – 14:00 Participants registration
14:00 – 14:15 DySoN-ISACC 2021 Opening (Vincenzo Guidi, Nigel J. Mason and Andrey V. Solov’yov)
14:15 – 15:45 Afternoon session I: Dynamics of systems on the nanoscale
(Chair: Vincenzo Guidi)
Andrey Solov’yov, MBN Research Center, Frankfurt am Main, Germany
Advances and challenges in computational multiscale modelling of MesoBioNano systems
Eleanor Campbell, University of Edinburgh, Edinburgh, Scotland
Shake, rattle and roll: STM studies of fullerenes
Beata Ziaja-Motyka, Center for Free-Electron Laser Science, DESY, Hamburg, Germany
Transitions in matter induced by intense X-ray radiation and their diagnostics
15:45 – 16:15 Coffee break
16:15 – 17:45 Afternoon session II: Structure and dynamics of molecules, clusters and nanoparticles
(Chair: Ilya Fabrikant)
Riccardo Ferrando, University of Genoa, Italy
Symmetry breaking and symmetry recovery in the growth of metal nanoparticles
Rodolphe Antoine, Institut Lumière Matière, Université Claude Bernard Lyon1, France
Tailoring the optical properties of gold catenane nanoclusters. Surface ligand, silver doping, and self-assembly
Stefan Bromley, University of Barcelona, Spain
Understanding cosmic nanodust using molecular dynamics
19:00 – 22:00 Welcome Reception

Tuesday, October 19 (DySoN-related sessions)

9:30 – 11:00 Morning session I: Cluster and biomolecular ensembles, composite systems
(Chair: Rodolphe Antoine)
Ilko Bald, University of Potsdam, Germany
Novel nanoarchitectures for the monitoring of single molecules and plasmon induced chemical reactions by surface-enhanced Raman scattering (SERS)
Michael Mertig, Kurt-Schwabe-Institut für Mess- und Sensortechnik Meinsberg e.V. and Technische Universität Dresden, Germany
Putting DNA origami-based nanostructures in stable motion
Ilia Solov’yov, Carl von Ossietzky University of Oldenburg, Oldenburg, Germany
Structure and dynamics of cryptochrome photoreceptors
11:00 – 11:30 Coffee break
11:30 – 13:00 Morning session II: Irradiation-driven processes and technologies involving Meso-Bio-Nano systems
(Chair: Alexey Verkhovtsev)
Nigel Mason / Perry Hailey, University of Kent, Canterbury, United Kingdom
Irradiation-driven transformations of ice deposits under astrochemical conditions
Marco Beleggia, Technical University of Denmark, Lyngby, Denmark
Organic ice resist lithography
Harald Plank, Institute of Electron Microscopy and Nanoanalysis, Graz University of Technology, Austria
3D nanoprinting via focused electron beams: principles and applications
13:00 – 14:30 Lunch
14:30 – 16:00 Afternoon session I: Radiation-induced chemistry
(Chair: Nigel Mason)
Duncan Mifsud, University of Kent, Canterbury, United Kingdom
Sulphur astrochemistry in the laboratory: techniques to understand the formation of interstellar and planetary Sulphur-bearing molecules
Alexey Prosvetov, MBN Research Center, Frankfurt am Main, Germany
Atomistic insights into the metal nanostructure growth under focused electron beam irradiation
Filipe Ferreira da Silva, Universidade Nova de Lisboa, Caparica, Portugal
Electron interactions with HFC (R134a) refrigerant gas
16:00 – 16:30 Coffee break
16:30 – 18:00 Afternoon session II: Structure and dynamics of molecules, clusters and nanoparticles
(Chair: Simone Taioli)
Pablo de Vera, European Centre for Theoretical Studies in Nuclear Physics and Related Areas (ECT*), Trento, Italy
Irradiation driven molecular dynamics interfaced with Monte Carlo for detailed simulations of focused electron beam induced deposition
Short presentations:
Cesare Roncaglia, University of Genoa, Genoa, Italy
Structural transitions in metal nanoparticles: equilibrium-driven processes in Au and AuPd
Iva Falková, Institute of Biophysics of CAS, Brno, Czech Republic
Novel software based on artificial neural networks and deep learning for automatic analysis of ionizing radiation-induced foci (IRIFs) and advanced analysis of their micro-morphological and additional parameter
Anders Frederiksen, Carl von Ossietzky University of Oldenburg, Oldenburg, Germany
Structural and dynamic traits of avian cryptochromes
Gesa Grüning, Carl von Ossietzky University of Oldenburg, Oldenburg, Germany
The influence of dynamics degrees of freedom on spin relaxation in the European Robin cryptochrome

Wednesday, October 20 (DySoN-related sessions)

9:30 – 11:00 Morning session I: Interaction of radiation with biomolecular systems: mechanisms and applications
(Chair: Ilia Solov’yov)
Simone Taioli, European Centre for Theoretical Studies in Nuclear Physics and Related Areas (ECT*), Trento, Italy
Ab initio informed Monte Carlo simulations of biologically relevant materials excitation spectra
Thomas Schlathölter, Zernike Institute for Advanced Materials, University of Groningen, The Netherlands
Multiple valence electron detachment following Auger decay of inner-shell vacancies in gas-phase DNA
Andrew Cassidy, Center for Interstellar Catalysis and Department of Physics and Astronomy, Aarhus University, Aarhus, Denmark
Solid state dynamics viewed through the spontelectric effect
11:00 – 11:30 Coffee break
11:30 – 13:00 Morning session II: Interaction of radiation with bio-systems: mechanisms and applications
(Chair: Thomas Schlathölter)
Martin Falk, Institute of Biophysics of the CAS, Brno, Czech Republic
Repair focus micro- and nano architecture in DSB repair efficiency and pathway selection
Alexey Verkhovtsev, MBN Research Center, Frankfurt am Main, Germany
Lethal DNA damage caused by heavy ion-induced shock waves in cells
Kate Ricketts, University College London, United Kingdom
Realising the potential of particle therapy and nanoparticle enhanced radiotherapy
13:00 – 13:15 Conference photo
13:15 – 14:30 Lunch
14:30 – 16:00 Afternoon session I: Propagation of particles through media
(Chair: Andrey Solov’yov)
Andrei Korol, MBN Research Center, Frankfurt am Main, Germany
Crystal based gamma-ray light sources
Hartmut Backe, Institute of Nuclear Physics, University of Mainz, Germany
Considerations on Channeling of charged particles in diamond, based on experiments, simulations, and the Fokker-Planck equation
Werner Lauth, Institute of Nuclear Physics, University of Mainz, Germany
Characterization of crystalline undulators at the Mainz Microtron MAMI
16:00 – 16:30 Coffee break
16:30 – 18:00 Afternoon session II: Design and practical realization of novel gamma-ray crystal-based light sources
(Chair: Hartmut Backe)
Davide De Salvador, University of Padova, Italy
Pulsed laser melting processes for nanoscale doping and strain control
Thu Nhi Tran Thi, European Synchrotron Radiation Facility, Grenoble, France
Revealing single crystal quality by insight Diffraction Imaging technique
Andrea Mazzolari, Istituto Nazionale di Fisica Nucleare, Ferrara, Italy
Advancement of bent crystals technology in high-energy particle accelerators
19:00 – 22:30 Conference Dinner

Thursday, October 21 (ISACC-related sessions)

9:30 – 11:00 Morning Session I: Collision and radiation-induced processes
(Chair: Juraj Fedor)
Ilya Fabrikant, University of Nebraska-Lincoln, Nebraska, USA
Positronium collisions with molecules: Free-electron-gas model
Sadia Bari, Deutsches Elektronen-Synchrotron (DESY), Hamburg, Germany
Soft X-ray spectroscopy of peptides and porphyrins
Eric Suraud, Université Paul Sabatier, Toulouse, France
Towards the analysis of attosecond dynamics in complex systems
11:00 – 11:30 Coffee break
11:30 – 13:00 Morning Session II: Electron and photon cluster collisions
(Chair: Eleanor Campbell)
Juraj Fedor, J. Heyrovský Institute of Physical Chemistry, Czech Republic
Statistical vs. non-statistical emission of electrons from hot anions
Himadri Chakraborty, Northwest Missouri State University, Maryville, USA
Ultrafast relaxation of photoexcited “hot” electrons in fullerene materials
Hassan Abdoul-Carime, University of Lyon, France
Reaction in selected molecular films induced by low energy electrons
13:00 – 14:30 Lunch
14:30 – 16:00 Free time / Conference walk through the town (optional)
16:00 – 16:30 Coffee break
16:30 – 18:00 Afternoon session I: Cluster-molecule interactions, reactivity and nanocatalysis
(Chair: Riccardo Ferrando)
Vincenzo Guidi, University of Ferrara, Italy
An operando FTIR to monitor the reaction mechanism of adsorbed molecular species in chemoresistive devices
Andrew Wheatley, University of Cambridge, United Kingdom
On the potential of immobilizing active species for energy and sensing applications
Shiv Khanna, Virginia Commonwealth University, Richmond, USA
Metal-chalcogenide superatoms for nano p- n- junction with tunable band gaps, adjustable band alignment, and light harvesting

Friday, October 22 (ISACC-related sessions)

9:30 – 11:00 Morning session I: Structure and dynamics of molecules, clusters and nanoparticles
(Chair: Eric Suraud)
Sascha Schäfer, Carl von Ossietzky University of Oldenburg, Oldenburg, Germany
Probing ultrafast nanoscale dynamics by femtosecond electron imaging
Nektarios Papadogiannis, Hellenic Mediterranean University, Heraklion, Greece
Laser-generated ultrafast and coherent X-ray sources and their application in nanoscopy
Malgorzata Smialek-Telega, Gdansk University of Technology, Poland
What happens if phenol meets toluene?
11:00 – 11:30 Coffee break
11:30 – 13:15 Morning Session II: Structure and dynamics of nanosystems (short presentations)
(Chair: Sadia Bari)
Jonathan Hungerland, Carl von Ossietzky University of Oldenburg, Oldenburg, Germany
Phase transition of alanine polypeptides in water
Maja Hanić, Carl von Ossietzky University of Oldenburg, Oldenburg, Germany
Structural and dynamic characterization of avian cryptochrome 4
Diana Nelli, University of Genoa, Genoa, Italy
From kinetic trapping to equilibration in the coalescence of elemental and bimetallic nanoparticles
Georg Manthey, Carl von Ossietzky University of Oldenburg, Oldenburg, Germany
On structure prediction of proteins with alphafold and traditional methods
El Yakout El Koraychy, University of Genoa, Genoa, Italy
Microscopic formation mechanisms of multiply twinned gold nanoparticles from tetrahedral seed
Fabian Schuhmann, Carl von Ossietzky University of Oldenburg, Oldenburg, Germany
Computational approach for 3D reconstruction of missing protein fragments
Siu Ying Wong, Carl von Ossietzky University of Oldenburg, Oldenburg, Germany
Cryptochrome magnetoreception: Four tryptophans could be better than three
13:15 – 13:30 Final Discussion and DySoN-ISACC 2021 Closing